methyl 2-(cyclopropylmethylamino)-2-methylnonanoate

C15H29NO2 — CID 54894023

IUPACmethyl 2-(cyclopropylmethylamino)-2-methylnonanoate
SMILESCCCCCCCC(C)(NCC1CC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-11-15(2,14(17)18-3)16-12-13-9-10-13/h13,16H,4-12H2,1-3H3
InChIKeyOEOBJDFSJPDUAN-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds10

About methyl 2-(cyclopropylmethylamino)-2-methylnonanoate

methyl 2-(cyclopropylmethylamino)-2-methylnonanoate (PubChem CID 54894023) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-methylnonanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-methylnonanoate
PubChem CID54894023
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-methylnonanoate
SMILESCCCCCCCC(C)(NCC1CC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-4-5-6-7-8-11-15(2,14(17)18-3)16-12-13-9-10-13/h13,16H,4-12H2,1-3H3
InChIKeyOEOBJDFSJPDUAN-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-(cyclopropylmethylamino)-2-methylnonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
CID 54894120
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330
2-(cyclopropylmethylamino)-2-methylpentanamide
CID 55026560
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
ethyl 2-methyl-2-(oxolan-2-ylmethylamino)heptanoate
CID 80557990
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-methylnonanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-methylnonanoate (CID 54894023) is methyl 2-(cyclopropylmethylamino)-2-methylnonanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-methylnonanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-methylnonanoate is CCCCCCCC(C)(NCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-methylnonanoate?
The InChIKey is OEOBJDFSJPDUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-7-8-11-15(2,14(17)18-3)16-12-13-9-10-13/h13,16H,4-12H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-methylnonanoate?
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-methylnonanoate is sourced from PubChem (CID 54894023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).